SCHEMBL5737786

SCHEMBL5737786

COC(=O)C(Cc1ccc(Br)nc1)OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
FFAR1 O14842 1/20 0.41
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
MMP13 P45452 3/20 0.39
MMP8 P22894 2/20 0.39
PPARG P37231 5/20 0.39
PPARA Q07869 5/20 0.39
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PPARD Q03181 3/20 0.36
ACACB O00763 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP12 P39900 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
FDFT1 P37268 1/20 0.34
PTPRB P23467 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13550944 0.84 SIRT2 (0.44) SIRT2FFAR1MMP2MMP9MMP13
SCHEMBL4200153 0.82 ALDH1A1 (0.45) SIRT2MMP2MMP9MMP13MMP8
SCHEMBL22775074 0.79 HDAC1 (0.46) SIRT2ACACBHDAC1HDAC6
SCHEMBL29604518 0.79 HDAC1 (0.46) SIRT2ACACBHDAC1HDAC6
SCHEMBL106837 0.75 CYP1A2 (0.37) SIRT2FFAR1MMP2MMP9MMP13
SCHEMBL542969 0.74 ESR1 (0.63) MMP2MMP9MMP13ESR1ESR2
SCHEMBL5024580 0.74 ESR1 (0.63) MMP2MMP9MMP13ESR1ESR2
SCHEMBL542970 0.74 ESR1 (0.63) MMP2MMP9MMP13ESR1ESR2
SCHEMBL4065696 0.74 KLK5 (0.49) SIRT2HDAC1HDAC6
SCHEMBL5759509 0.73 ACACB (0.46) ACACB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1805943-A Alpha substituted carboxylic acid as PPAR modulators PFIZER (US) 2006-07-19 CN disclosed
EP-1615899-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACIDS AS PPAR MODULATORS PFIZER INC. (US) 2006-01-18 EP disclosed
US-20050234066-A1 Alpha substituted carboxylic acids AGOURON PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050187266-A1 Alpha substituted carboxylic acids PFIZER INC 2005-08-25 US disclosed
WO-2004092145-A1 ALPHA SUBSTITUTED CARBOXYLIC ACID AS PPAR MODULATORS PFIZER INC. (US) 2004-10-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050234066-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD SIRT2 895/4885FFAR1 5/4885MMP2 4236/4885
US-20050187266-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD SIRT2 895/4885FFAR1 5/4885MMP2 4236/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.